简介:利用密度泛函理论(DensityFunctionalTheory)中的B3LYP方法在6-311+G(d,p)的计算水平上研究了Fe/Fe_2与NO反应的相关微观机理.全参数优化了Fe+NO和Fe_2+NO反应体系在不同重态反应势能面上各驻点的几何结构,并用频率分析法以及内禀反应坐标(IntrinsicReactionCoordinate)方法对过渡态进行了验证,得到了相对应的反应的微观反应路径.用"两态反应"分析反应机理,计算结果表明2个体系的优先选择路径均为低自旋态进入和高自旋态离开反应.通过对2个体系反应活化能的比较,Fe_2+NO体系更易进行.
简介:在situcomposites在艾尔矩阵上研究严重塑料变丑的影响规则,10?wt%艾尔3在situ的Zr/2024Al增强粒子合成被准备由直接融化反应(DMR),然后,合成是由有90的一个方向的热伪造?%塑料变丑。然后,前进状态的微观结构合成被观察,并且机械性质的变化法律和磨擦表演在以后并且在塑料使变形前被比较。结果显示艾尔3增强Zr的粒子旋转并且闯入10-20的更小的尺寸?ng可溶的biopolymer有三个转变金属离子的牛的浆液白朊(BSA)(M,M=Cu,公司,Mn)。白朊一定的金属离子的有约束力的模式和比率被调查。BSA-M建筑群被紫外力的、圆形的二色性(CD)描绘系列和polyacrylamide胶化电气泳动(页)。当聚合物支架和金属建筑群作为催化活跃中心工作了,BSA服务了。当到BSA的转变金属离子建筑群的有约束力的比率是5:1时,结果证明BSA的结构仍然保持未改变。而且,清除superoxide阴离子自由的基(O\(_{2}^{\bullet-}\??
简介:IntroductionAsitiswell-known,Yamāri'sPramā(n)avārttikāla(n)kāra(t)īkāSupari(s)uddhā(hereafterPVATS)1onPraj(n)ākaragupta'sPramā(n)avārttikāla(n)kāra(hereafterPVA)containsalotofmaterialsconcerningvarioustopicswhichareveryimportantforhistoricalreconstructionofthelaterdevelopmentoftheBuddhistepistemologicalsystem,especiallythetraditionbeginningwithDharmakīrti'sPramā(n)avārttika(hereafterPV).
简介:Pr2Fe14B-La2Fe14B系统被衍射(XRD),微分扫描热量测定(DSC)和扫描电子显微镜学(SEM)与精力装备了的X光检查粉末调查散X光检查光谱学(版本)。水晶结构参数被完整侧面的Rietveld精炼决定。结果揭示了那所有合金(Pr1-xLax)2Fe14B使Nd2Fe14有空格组P42/mnm的B类型结构并且形成了连续固体在x=0.0之间的解决方案并且1.0。格子参数一,c,单位房间体积V和c/a比率与La集中线性地增加了。由thermogravimetry分析决定了,居里温度(TC),阶段转变温度和融化的温度(Pr1-xLax)2Fe14B在La内容之上线性地减少了。基于DSC大小和X光检查粉末衍射考试的结果,Pr2Fe14B-La2Fe14B系统被建立。
简介:采用Al-5Ti-B变质剂对过共晶Al-18Si合金进行反向变质处理,用光学显微镜观察合金的组织与形貌,研究变质剂加入量、变质温度和冷却速度对初晶硅的尺寸、形态和面积分数以及共晶组织的影响。研究表明:当Al-5Ti-B加入量(质量分数)为0.3%时,变质处理后Al-18Si合金中的初晶硅和共晶硅尺寸明显减小,初晶硅的面积分数减小;与其相比,变质剂加入量增加到0.6%时,初晶硅尺寸变化不明显,但共晶硅进一步细化;随冷却速率降低,变质处理后Al-18Si合金中初晶硅相的数量减少,但Si颗粒尺寸明显增大,并且共晶硅细化;与Al-18Si合金在720℃变质相比,该合金在780℃变质处理时,初晶硅的尺寸增大,但初晶硅的面积分数显著减小;合金在850℃变质处理后初晶硅的尺寸、面积分数都比720℃变质处理后明显减小;随变质温度升高,Al-Si合金中的共晶硅明显细化。
简介:Carbonnanotube(CNT)reinforcedaluminummetalmatrixcompositeswereweldedbyelectronbeamweldingandthemicrostructuresofweldedjointswereinvestigated.TheresultshowedthattheinterfacialreactionhappenedbetweentheCNTsandAlmatrix,whichresultedinproducingbrittleAl_4C_3compoundsinelectronbeamwelds.Theextentofinterfacialreactionvariesgraduallyinthedepthandwidthdirection.ThelengthofthereactantsAl_4C_3becameshortduotothetemperaturegradientinthemoltenpool.ThequantityandsizeofAl_4C_3compoundsincreasedwiththeincreaseofbeamcurrentandthedecreaseofweldingspeedinthemiddlezoneofweld.However,noneedle-likephaseAl_4C_3wasobservedinHAZ.
简介:Theadsorptiveremovalofarsenicbysynthetically-preparednanoFe-Mnbinaryoxides(FM)wasinvestigated.AnovelmethodusingpotassiumpermanganateandferricchlorideasrawmaterialswasusedtosynthesiseFM.ThemolarratioofFeandMninthesyntheticFe-Mnbinaryoxideswas4:3.TheFM-1andFM-2(preparedatdifferentactivationtemperatures)havinghighspecificsurfaceareas(358.87and128.58m2/g,respectively)wereamorphousandofnanoparticletypes.TheamountofarsenicadsorbedonFM-1washigherthanthatadsorbedonFM-2particles.AfteradsorptionbyFM-1,residualarsenicconcentrationdecreasedtolessthan10μg/L.Theadsorptionkineticsdatawereanalyzedusingdifferentkineticmodelsincludingpseudofirst-ordermodel,pseudosecond-ordermodel,Elovichmodelandintraparticlediffusionmodel.Pseudosecond-orderkineticmodelwasthemostappropriatemodeltodescribetheadsorptionkinetics.TheadsorptionpercentageofAs(Ⅲ)increasedinthepHrangeof2–3whileitdecreasedwiththeincreaseofpH(3
简介:Thediffusionmechanismofboroninbcc-Fehasbeenstudiedbyfirst-principlescalculations.Thediffusioncoefficientsoftheinterstitialmechanism,theB–monovacancycomplexmechanism,andtheB–divacancycomplexmechanismhavebeencalculated.ThecalculateddiffusioncoefficientoftheinterstitialmechanismisD0=1.05×10-7exp(-0.75eV/kT)m2·s-1,whilethediffusioncoefficientsoftheB–monovacancyandtheB–divacancycomplexmechanismsareD1=1.22×10-6f1exp(-2.27eV/kT)m2·s-1andD2≈8.36×10-6exp(-4.81eV/kT)m2·s-1,respectively.Theresultsindicatethatthedominantdiffusionmechanisminbcc-Feistheinterstitialmechanismthroughanoctahedralinterstitialsiteinsteadofthecomplexmechanism.ThecalculateddiffusioncoefficientisinaccordancewiththereportedexperimentresultsmeasuredinFe–3%Si–Balloy(bccstructure).Sincethenon-equilibriumsegregationofboronisbasedonthediffusionofthecomplexesassuggestedbythetheory,ourcalculationreasonablyexplainswhythenon-equilibriumsegregationofboronisnotobservedinbcc-Feinexperiments.
简介:磁性的元素Fe,公司和Ni的线性热扩大(CLE)的系数用与MATLAB计算相结合的理论模型从试验性的信息被估计。模型参数能精确地被决定,并且估计的数据在对试验性的结果的好同意。便于评价,热扩大的理论被使用把CLE分开成它的无磁性、磁性的部件。对CLE的无磁性的贡献的计算基于MnBi/NdFeB混血儿的修改Grc性质结合的磁铁都逐渐地减少,当混合磁铁的密度几乎线性地改善时。在293-398的一个温度范围?K,混合磁铁的coercivity温度系数从0.59逐渐地改善?%比较。建模和频率与二低角落频率认为压力消除阀门是一个秒顺序系统是合理的试验性的结果表演。PID控制,死了的乐队赔偿控制和鷸?鷸??
简介:Understandingtheeffectsoforganicacids(OA)onthetransformationofFeandMntosurfacewaterfromtheweatheringcoalgangueisofgreatbene?ttoriskassessmentandremediationstrategiesforcontaminatedwaterandsoil.BasedontheinvestigationonsurfacewaterinthecentralcoaldistrictsoftheGuizhouProvince,18watersampleswerecollectedforheavymetalanalysis.TheresultsindicatedthatthepHvalueofsurfacewaterislow(3.11–4.92),andFeconcentration(1.31–5.55mgL-1)andMnconcentration(1.90–5.71mgL-1)were,onaverage,10.86and34.33timesthelimitofSurfaceWaterQualityStandards,respectively.InordertoevaluatetheeffectsoftheOAonthedissolutionofFeandMnfromtheweatheringcoalgangue,columnelutionandbatchleachingexperimentswereconducted.Theresultsshowthatthelowmolecularweightoforganicacids(LMWOAs,i.e.,oxalic,tartaric,malicandcitricacids)andfulvicacidssigni?-cantlyacceleratedthedissolutionofFeandMn;inaddition,whentheconcentrationofOAreached25mmolL-1,theconcentrationsofFe,andMnwere1.14–67.08and1.11–2.32timesashighasthosein0.5mmolL-1OA,respectively.Furthermore,themigrationofFeandMnwassigni?cantlyin?uencedbythepHandEh,especiallyforFe;theionMnwasdissolvedfromtheganguemoreeasilythantheionFeinthecolumnleaching,whichwascontrarytotheresultsofbatchleaching.
简介:以Fe2O3,MnO2,Co2O3和NiO为原料,采用料浆喷雾干燥、高温固相反应结合氧-乙炔火焰喷涂工艺在Q235A普碳钢基体表面制造红外辐射节能涂层。采用X射线衍射、扫描电镜及红外光谱对粉末和涂层的物相组成、微观结构及涂层的发射率进行分析;并采用拉伸法测定涂层与基体的结合力,采用水淬法检测涂层的抗热震性能。研究结果表明:涂层由混合尖晶石结构的铁氧体物相组成,涂层表面粗糙,半熔融态的颗粒均匀分布在碳钢基体表面;涂层在800℃全波段的红外发射率在0.7以上,相比传统刷涂工艺,节能涂层在低于5mm波段的红外辐射性能更优,说明氧-乙炔火焰喷涂制备的红外辐射涂层在高温阶段具有更强的辐射换热能力;涂层与普碳钢基体的结合强度为19.5MPa,是采用刷涂工艺制备涂层的结合强度的3倍以上;涂层试样1000℃水淬19次后表面未出现裂纹或脱落现象,说明涂层具有优异的抗热震性能。
简介:Inrecentyears,theassessmentofproprioceptivefunctionhasreceivedincreasedattentioninclinicalandmotorskillresearch.Thisisnotsurprisinggiventhegrowingbodyofscientificevidenceontheimportanceofproprioceptiveinformationforcontrollingnearlyallfacetsofhumanmovement;fromstandingtoperforminghighlyskilledmovementpatterns